General Information of the Compound
| Compound ID |
CP0875505
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(5-(2-(benzyloxy)-5-chlorophenyl)-3-chloro-2-methyl-1H-pyrrol-1-yl)benzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H19Cl2NO3
|
||||||||||||||||||
| Molecular Weight |
452.337
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(Cl)cc(-c2cc(Cl)ccc2OCc2ccccc2)n1-c1cccc(C(=O)O)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H19Cl2NO3/c1-16-22(27)14-23(28(16)20-9-5-8-18(12-20)25(29)30)21-13-19(26)10-11-24(21)31-15-17-6-3-2-4-7-17/h2-14H,15H2,1H3,(H,29,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YNKLASHGQGAJJL-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound